3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one

C13H11F3O2 — CID 90079905

IUPAC3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one
SMILESO=C1OCC(c2ccccc2)=C1CC(F)C(F)F
InChIInChI=1S/C13H11F3O2/c14-11(12(15)16)6-9-10(7-18-13(9)17)8-4-2-1-3-5-8/h1-5,11-12H,6-7H2
InChIKeyQWYBPOSKOYKOLC-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.99
Rot. Bonds4

About 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one

3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one (PubChem CID 90079905) has the molecular formula C13H11F3O2 and a molecular weight of 256.22 g/mol. Its IUPAC name is 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one
PubChem CID90079905
Molecular FormulaC13H11F3O2
Molecular Weight256.22 g/mol
Exact Mass256.07
IUPAC Name3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one
SMILESO=C1OCC(c2ccccc2)=C1CC(F)C(F)F
InChIInChI=1S/C13H11F3O2/c14-11(12(15)16)6-9-10(7-18-13(9)17)8-4-2-1-3-5-8/h1-5,11-12H,6-7H2
InChIKeyQWYBPOSKOYKOLC-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one?
The IUPAC name of 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one (CID 90079905) is 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one.
What is the SMILES notation for 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one?
The canonical SMILES for 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one is O=C1OCC(c2ccccc2)=C1CC(F)C(F)F.
What is the InChIKey of 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one?
The InChIKey is QWYBPOSKOYKOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2/c14-11(12(15)16)6-9-10(7-18-13(9)17)8-4-2-1-3-5-8/h1-5,11-12H,6-7H2.
What are the key properties of 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one?
3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one has a molecular weight of 256.22 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(2,3,3-trifluoropropyl)-2H-furan-5-one is sourced from PubChem (CID 90079905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).